ChEBI
  Marvin  11101016212D          

  8  7  0  0  0  0            999 V2000
    5.2276   -3.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9413   -3.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276   -2.4449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5139   -3.6860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9413   -4.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6555   -2.4384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6549   -3.2722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3709   -3.6821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  1  2  0  0  0  0
  7  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <ID>
CHEBI:16992

> <NAME>
2-hydroxy-3-oxopropanoic acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:15194; CHEBI:19605; CHEBI:11583; CHEBI:1123

> <SYNONYM>
Tartronate semialdehyde; 2-Hydroxy-3-oxopropanoate

> <IUPAC_NAME>
2-hydroxy-3-oxopropanoic acid

> <FORMULA>
C3H4O4; C3H4O4

> <MASS>
104.06150

> <MONOISOTOPIC_MASS>
104.01096

> <CHARGE>
0

> <SMILES>
[H]C(=O)C(O)C(O)=O

> <INCHI>
InChI=1S/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)

> <INCHIKEY>
QWBAFPFNGRFSFB-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
2480-77-5

> <KEGG_COMPOUND_ACCESSION>
C01146

$$$$